[QE-users] effect of "pot_extrapolation" and "wfc_extrapolation" in MD

[Paolo Giannozzi]

On Tue, Apr 20, 2021 at 7:22 PM Sergey Lisenkov <proffess at yandex.ru> wrote:

I thought pot/wfc extrapolation was supposed to help.


it was supposed to help, but in practice it doesn't more often than not (at
least in the current implementation, that moreover produces a
disproportionate amount of I/O)

Paolo
-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 206, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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